[gmx-users] Topology files

kirtana S skirtana4 at gmail.com
Tue Feb 28 23:56:09 CET 2012


Thanks for the documentation. Again I have a  ligand terminated silica
nanoparticle ,what can be the easiest way to approach  the topology file
for this.



On Tue, Feb 28, 2012 at 5:46 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> kirtana S wrote:
>
>> For example if I have a polystyrene polymer chains and monomers of user
>> defined solvent . I need to construct the .itp file by hand .
>>
>
> Polystyrene is most easily generated using .rtp entries in pdb2gmx.  The
> solvent can be described by manually created .itp files.
>
> http://www.gromacs.org/**Documentation/How-tos/Polymers<http://www.gromacs.org/Documentation/How-tos/Polymers>
>
>
> -Justin
>
> --
> ==============================**==========
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> Justin A. Lemkul
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